1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine

C11H11Cl2N3 — CID 61000262

IUPAC1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
SMILESClc1cccc(CNCc2cn[nH]c2)c1Cl
InChIInChI=1S/C11H11Cl2N3/c12-10-3-1-2-9(11(10)13)7-14-4-8-5-15-16-6-8/h1-3,5-6,14H,4,7H2,(H,15,16)
InChIKeyQPICBJXWVIQHKT-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.01
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine

1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine (PubChem CID 61000262) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
PubChem CID61000262
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
SMILESClc1cccc(CNCc2cn[nH]c2)c1Cl
InChIInChI=1S/C11H11Cl2N3/c12-10-3-1-2-9(11(10)13)7-14-4-8-5-15-16-6-8/h1-3,5-6,14H,4,7H2,(H,15,16)
InChIKeyQPICBJXWVIQHKT-UHFFFAOYSA-N
XLogP3.01
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 54897524
1-(1,3-benzodioxol-4-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 54897096
1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 112617720
1-(2-cyclopropylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 79979585
1-[3-(chloromethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanamine
CID 107310005
1-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(1H-pyrazol-4-ylmethylamino)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 146206847
N-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 60663542
1-(3-phenoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 61000596
1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305367
N-(1H-pyrazol-4-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine
CID 63050204
1-(2,3-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 54903708
N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 54896941

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine (CID 61000262) is 1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine is Clc1cccc(CNCc2cn[nH]c2)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The InChIKey is QPICBJXWVIQHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c12-10-3-1-2-9(11(10)13)7-14-4-8-5-15-16-6-8/h1-3,5-6,14H,4,7H2,(H,15,16).
What are the key properties of 1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine has a molecular weight of 256.14 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine is sourced from PubChem (CID 61000262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).